SCHEMBL6451507

SCHEMBL6451507

Oc1c(Br)cc(Br)cc1-c1nc(-c2cnccn2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
ADORA2A P29274 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALPL P05186 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GRK6 P43250 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6453198 0.82 SMN1; SMN2 (0.57) GABRA1GABRB1GABRA2GABRB2ADORA2A
SCHEMBL6453065 0.82 GRK6 (0.46) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6448741 0.77 GRK6 (0.43) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL11320053 0.74 SMN1; SMN2 (0.53) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6452609 0.74 ADORA2A (0.58) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6449080 0.72 GRK6 (0.46) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6448721 0.72 IDO1 (0.47) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6448693 0.72 IDO1 (0.45) ADORA2ATDP1SMN1; SMN2NPC1ALPL
SCHEMBL6450018 0.72 GABRA1 (0.36) GABRA1GABRB1GABRA2GABRB2ADORA2A
SCHEMBL6460656 0.72 SMN1; SMN2 (0.43) ADORA2ATDP1SMN1; SMN2NPC1ALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GABRA1 4078/4885GABRB1 3304/4885GABRA2 4174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.